4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C14H25N5 — CID 172909005

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC(c2nncn2C)C2(CCNCC2)C1
InChIInChI=1S/C14H25N5/c1-11(2)19-8-12(13-17-16-10-18(13)3)14(9-19)4-6-15-7-5-14/h10-12,15H,4-9H2,1-3H3
InChIKeyRTMCLGHSLMORBN-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.99
Rot. Bonds2

About 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 172909005) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID172909005
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC(c2nncn2C)C2(CCNCC2)C1
InChIInChI=1S/C14H25N5/c1-11(2)19-8-12(13-17-16-10-18(13)3)14(9-19)4-6-15-7-5-14/h10-12,15H,4-9H2,1-3H3
InChIKeyRTMCLGHSLMORBN-UHFFFAOYSA-N
XLogP0.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 172909005) is 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CC(C)N1CC(c2nncn2C)C2(CCNCC2)C1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is RTMCLGHSLMORBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(2)19-8-12(13-17-16-10-18(13)3)14(9-19)4-6-15-7-5-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 263.39 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 172909005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).